(2E)-2-(4-ethyl-3H-1,3-thiazol-2-ylidene)-2-[2-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]ethanenitrile

Systemtic Name: (2E)-2-(4-ethyl-3H-1,3-thiazol-2-ylidene)-2-[2-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]ethanenitrile Openeye Name: (2E)-2-(4-ethyl-3H-thiazol-2-ylidene)-2-[2-[2-(3-pyridyl)ethylamino]pyrimidin-4-yl]acetonitrile CAS Name: (2E)-2-(4-ethyl-3H-thiazol-2-ylidene)-2-[2-[2-(3-pyridinyl)ethylamino]-4-pyrimidinyl]acetonitrile IUPAC Name: (2E)-2-(4-ethyl-3H-1,3-thiazol-2-ylidene)-2-[2-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]acetonitrile Traditional Name: (2E)-2-(4-ethyl-4-thiazolin-2-ylidene)-2-[2-[2-(3-pyridyl)ethylamino]pyrimidin-4-yl]acetonitrile Formula: C18H18N6S MolecularWeight: 350.44072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CSC(=C(C#N)C2=NC(=NC=C2)NCCC3=CN=CC=C3)N1

Isomeric SMILES

CCC1=CS/C(=C(/C#N)\C2=NC(=NC=C2)NCCC3=CN=CC=C3)/N1

InChI

InChI=1S/C18H18N6S/c1-2-14-12-25-17(23-14)15(10-19)16-6-9-22-18(24-16)21-8-5-13-4-3-7-20-11-13/h3-4,6-7,9,11-12,23H,2,5,8H2,1H3,(H,21,22,24)/b17-15-